Studies of ab initio and Monte Carlo simulation on interaction of fluorouracil anticancer drug with carbon nanotube

Journal of Nanostructure in Chemistry

Volumn 3, Issue 1, 2013, Pages

  Zare, Karim ^a   Najafi, Fahimeh ^b   Sadegh, Hamidreza ^c   ghoshekandi, Ramin Shahryari ^c  

^a SHAHID BEHESHTI UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Carbon nanotube; Fluorouracil; Force field; Hartree Fock (HF) theory

Indexed keywords

EID: 85135220764     PISSN: 20089244     EISSN: 21938865     Source Type: Journal    
DOI: 10.1186/2193-8865-3-71     Document Type: Article

References (33)

1. Dorr RT, Von-Hoff DD: Cancer Chemotherapy Handbook. 2nd edition. Norwalk: Appleton and Lange; 1994:27–28.
2. Chu E: Clinical colorectal cancer: ode to 5-fluorouracil. Clin. Colorectal Cancer 2007,6(9):609. 10.3816/CCC.2007.n.029 DOI: 10.3816/CCC.2007.n.029
3. Longley DB, Harkin DP, Johnston PG: 5-fluorouracil: mechanisms of action and clinical strategies. Nat. Rev. Cancer May 2003,3(5):330–338. 10.1038/nrc1074 DOI: 10.1038/nrc1074
4. van der Wilt CL, Marinelli A, Pinedo HM, Cloos J, Smid K, van de Velde CJ, Peters GJ: The effects of different routes of administration of 5-fluorouracil on thymidylase synthase inhibition in the rat. Eur. J. Cancer 1995,31A(5):754–760. DOI: 10.1016/0959-8049(94)00477-M
5. McEvoy GK (Ed): AHFS 2006 Drug Information. Bethesda: American Society of Health-System Pharmacists; 2006:1052–1056.
6. McEvoy GK (Ed): AHFS 2005 Drug Information. Bethesda: American Society of Health-System Pharmacists; 2005:1020–1025.
7. Dekker C: Carbon nanotubes as molecular quantum wires. Physics Today. 1999,52(5):22–28. 10.1063/1.882658 DOI: 10.1063/1.882658
8. Bonard JM, Kind H, Stöckli T, Nilsson LO: Field emission from carbon nanotubes: the first five years. Solid State Electron. 2001, 45: 893. 10.1016/S0038-1101(00)00213-6 DOI: 10.1016/S0038-1101(00)00213-6
9. Kong J, Franklin NR, Zhou C, Chapline M, Peng G, Cho SK, Dai H: Nanotube molecular wires as chemical sensors. Science 2000, 287: 622–625. 10.1126/science.287.5453.622 DOI: 10.1126/science.287.5453.622
10. Artukovic E, Kaempgen M, Hecht DS, Roth S, Gruner G: Transparent and flexible carbon nanotube transistors. Nano Lett. 2005, 5: 757–760. 10.1021/nl050254o DOI: 10.1021/nl050254o
11. Hines DR, Mezhenny S, Breban M, Williams ED, Ballarotto VW, Esen G, Southard A, Fuhrer MS: Nanotransfer printing of organic and carbon nanotube thin-film transistors on plastic substrates. Appl. Phys. Lett. 2005, 86: 163101. 10.1063/1.1901809 DOI: 10.1063/1.1901809
12. Selvarasah S, Chen C-L, Chao S-H, Makaram P, Busnaina A, Dokmeci MR: A three dimensional thermal sensor based on single-walled carbon nanotubes. In Proceedings of the 14th International Conference on Solid-State Sensors, Actuators and Microsystems (Transducers '07). Lyon; 2007:1023–1026. 10–14 Jun 10–14 Jun
13. Fung CKM, Wong VTS, Chan RHM, Li WJ: Dielectrophoretic batch fabrication of bundled carbon nanotube thermal sensors. IEEE Trans. Nanotechnology 2004, 3: 395–403. 10.1109/TNANO.2004.834156 DOI: 10.1109/TNANO.2004.834156
14. Fung CKM: Fabrication of CNT-based MEMS piezoresistive pressure sensors using DEP nanoassembly. In Proceedings of the 5th International Conference on Nanotechnology (IEEENANO). Nagoya: Nagoya; 2005:199–202. 11–15 Jul 11–15 Jul
15. Dresselhaus MS, Dresselhaus G, Eklund PC: Science of Fullerenes and Carbon Nanotubes. San Diego: Academic Press; 1996.
16. Ebbesen TW (Ed): Carbon Nanotubes: Preparation and Properties. Boca Raton: CRC Press; 1997.
17. Thess A, Lee R, Nikolaev P, Dai H, Petit P, Robert J, Xu C, Lee YH, Kim SG, Rinzler AG, Colbert DT, Scuseria GE, Tomanek D, Fischer JE, Smalley RE: Crystalline ropes of metallic carbon nanotubes. Science 1996, 273: 483. 10.1126/science.273.5274.483 DOI: 10.1126/science.273.5274.483
18. Ivanov V, Nagy JB, Lambin P, Lucas A, Zhang XB, Zhang XF, Bernaerts D, Van Tendeloo G, Amellinckx S, Van Landuyt J: The study of carbon nanotubules produced by catalytic method. Chem. Phys. Lett. 1994, 223: 329. 10.1016/0009-2614(94)00467-6 DOI: 10.1016/0009-2614(94)00467-6
19. Ehlich R, Biro LP, Hertel IV: Growth of nanotubes by decomposition of C60 on transitional metal surfaces. Synth. Met. 1999, 103: 2486. 10.1016/S0379-6779(98)01069-8 DOI: 10.1016/S0379-6779(98)01069-8
20. Bir´o LP, Ehlich R, Tellgmann R, Gromov A, Krawetz N, Tschaplyguine M, Pohl M-M, Zsoldos E, V´ertesy Z, Horv´ath ZE, Campbell EEB: Growth of carbon nanotubes by fullerene decomposition in the presence of transition metals. Chem. Phys. Lett. 1999, 306: 155. 10.1016/S0009-2614(99)00433-9 DOI: 10.1016/S0009-2614(99)00433-9
21. Meng S, Maragakis P, Papaloukas C, Kaxiras E: DNA nucleoside interaction and identification with carbon nanotubes. Nano Lett. 2007, l7: 45. No1 No1 DOI: 10.1021/nl0619103
22. Cuniberti G, Yi J, Porto M: arXiv: Pure-carbon ring transistor: role of topology and structure. Appl. Phys. Lett. 2002, 81: 850. 10.1063/1.1497195 DOI: 10.1063/1.1497195
23. Flahaut E, Peigney A, Laurent CH, Rousset A: Synthesis of single-walled carbon nanotube-Co-MgO composite powders and extraction of the nanotubes. J. Mater. Chem. 2000, 10: 249. 10.1039/a908593i DOI: 10.1039/a908593i
24. Sugai T, Omote H, Bandow S, Tanaka N, Shinohara H: Carbon nanotubes by high-temperature pulsed arc discharge. J. Chem. Phys. 2000, 112: 6000. 10.1063/1.481172 DOI: 10.1063/1.481172
25. Zhu H, Xu C, Wei B, Wu D: A new method for synthesizing double-walled carbon nanotubes. Carbon 2002, 40: 2021. 10.1016/S0008-6223(02)00040-4 DOI: 10.1016/S0008-6223(02)00040-4
26. Nsangou M, Jaidane NE, Ben Z: Lakhdar: Internet electronic. J. Molecular Design. 2006, 5: 89–101.
27. Young D: Cytoclonal Pharmaceutics Inc.: Introduction to computational chemistry. Chem. Aust. 1998, 11: 5.
28. Monajjemi M, Chahkandi B: Study of the hydrogen bond indifferent orientations of adenine-thymine base pairs: an ab initio study. J. Mol. Struct. (THEOCHEM) 2004, 714: 43. DOI: 10.1016/j.theochem.2004.09.048
29. Jorgensen WL: Biological reactions are slow in absence of a catalyst. Adv. Chem. Phys. 1988, 70: 469.
30. Metropolis NA, Rosenbluth AW, Teller AH, Teller E: Equation of state calculations by fast computing machines. J. Chem. Phys. 1953, 21: 10–87. DOI: 10.1063/1.1699114
31. Haeri HH, Hashemianzadeh SM, Monajjemi M: Temperature effects on the stochastic gating of the IP3R calcium release channel: a numerical simulation study. J. Biol. Syst. 2009, 17: 817–852. 10.1142/S0218339009003058 DOI: 10.1142/S0218339009003058
32. HyperChem 7.0. Gainesville: Hypecube Inc; 2001.
33. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, et al.: Gaussian 98 Revision A.6. Pittsburgh: Gaussian, Inc; 1998.